Compound Identification
SMILES
CC1=C(C)C2=C(C=C1)C(=O)C(C(CCCCCC(O)=O)C1=CC=CC=C1)=C(C)C2=O
InChIKey
InChIKey=NYSOTOHOMIQNCG-UHFFFAOYSA-N
Formula
C26H28O4
Mass
404.506
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Dalbergiones
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Dalbergiones
Intermediate Tree Nodes
Not available
Direct Parent
Dalbergiones
Alternative Parents
Naphthoquinones Quinones Medium-chain fatty acids Aryl ketones Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Dalbergione skeleton - Naphthoquinone - Naphthalene - Quinone - Aryl ketone - Medium-chain fatty acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dalbergiones. These are quinone derivatives containing a dalbergione moiety, which consists of a 1-4 quinone conjugated to a phenyl group at ring carbon 2.
External Descriptors
Not available